7-(2-phenylethyl)-2-(quinolin-8-ylmethyl)-2,7-diazaspiro[4.5]decane

• ChemBase ID: 706531
• Molecular Formular: C26H31N3
• Molecular Mass: 385.54444
• Monoisotopic Mass: 385.25179801
• SMILES: c1(c2ncccc2ccc1)CN1CC2(CN(CCc3ccccc3)CCC2)CC1
• Canonical SMILES: c1ccc(cc1)CCN1CCCC2(C1)CCN(C2)Cc1cccc2c1nccc2
• InChI: InChI=1S/C26H31N3/c1-2-7-22(8-3-1)12-17-28-16-6-13-26(20-28)14-18-29(21-26)19-24-10-4-9-23-11-5-15-27-25(23)24/h1-5,7-11,15H,6,12-14,16-21H2
• InChIKey: OBITUEGVEVSRFS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(2-phenylethyl)-2-(quinolin-8-ylmethyl)-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 7-(2-phenylethyl)-2-(quinolin-8-ylmethyl)-2,7-diazaspiro[4.5]decane
• Synonyms: 8-{[7-(2-phenylethyl)-2,7-diazaspiro[4.5]dec-2-yl]methyl}quinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.1157358
• LogD (pH = 7.4): 1.4462621
• Log P: 4.633214
• Molar Refractivity: 120.6712 cm^3
• Polarizability: 48.471603 Å^3
• Polar Surface Area: 19.37 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 4.88
• LOG S: -3.87
• Polar Surface Area: 19.37 Å^2
• Rotatable Bonds: 5